N-[1-(3-chlorophenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide

C19H19ClFNO — CID 46541078

IUPACN-[1-(3-chlorophenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide
SMILESCC(NC(=O)C1(c2ccc(F)cc2)CCC1)c1cccc(Cl)c1
InChIInChI=1S/C19H19ClFNO/c1-13(14-4-2-5-16(20)12-14)22-18(23)19(10-3-11-19)15-6-8-17(21)9-7-15/h2,4-9,12-13H,3,10-11H2,1H3,(H,22,23)
InChIKeyZDMWGJWXQXLBNZ-UHFFFAOYSA-N
MW331.82 g/mol
LogP4.78
Rot. Bonds4

About N-[1-(3-chlorophenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide

N-[1-(3-chlorophenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide (PubChem CID 46541078) has the molecular formula C19H19ClFNO and a molecular weight of 331.82 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide
PubChem CID46541078
Molecular FormulaC19H19ClFNO
Molecular Weight331.82 g/mol
Exact Mass331.11
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide
SMILESCC(NC(=O)C1(c2ccc(F)cc2)CCC1)c1cccc(Cl)c1
InChIInChI=1S/C19H19ClFNO/c1-13(14-4-2-5-16(20)12-14)22-18(23)19(10-3-11-19)15-6-8-17(21)9-7-15/h2,4-9,12-13H,3,10-11H2,1H3,(H,22,23)
InChIKeyZDMWGJWXQXLBNZ-UHFFFAOYSA-N
XLogP4.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.82
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluorobenzamide
CID 7944591
1-(3-chlorophenyl)-N-(1-pyridin-4-ylethyl)cyclohexane-1-carboxamide
CID 78844552
1-(aminomethyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]cyclopropane-1-carboxamide
CID 113313018
N-[1-(3-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide
CID 63128913
N-(5-chloro-2-fluorophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 134022500
1-(3-chlorophenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]cyclobutane-1-carboxamide
CID 48664321
N-[1-(3-chlorophenyl)ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980234
N-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 51956623
N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide
CID 95086523
2-(1-aminocyclobutyl)-N-[(1R)-1-(3-chlorophenyl)ethyl]acetamide
CID 81371808
N-[1-(4-cyanophenyl)ethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 56811633
1-[1-(3-chlorophenyl)ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111437923

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide (CID 46541078) is N-[1-(3-chlorophenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide is CC(NC(=O)C1(c2ccc(F)cc2)CCC1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide?
The InChIKey is ZDMWGJWXQXLBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFNO/c1-13(14-4-2-5-16(20)12-14)22-18(23)19(10-3-11-19)15-6-8-17(21)9-7-15/h2,4-9,12-13H,3,10-11H2,1H3,(H,22,23).
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide?
N-[1-(3-chlorophenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide has a molecular weight of 331.82 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 46541078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).